Geometry & MOs

Info

ID:	259872
PubChem CID:	103176224
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	2.55
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-6-methylpyridin-3-yl)oxymethyl]pentane-1-thiol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OCCCCS

DOS

IR

Vibrations